Compound Detail
CHEMBL60482
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CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1c[nH]c2ccc(O)cc12
Basic Information
| ChEMBL ID | CHEMBL60482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPCYNHXMFOOEQQ-FKBYEOEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
1.99
ALogP
5
HBA
5
HBD
135.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 5.4 | 5.31 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 4000.0 | nM | 5.4 | The calpain inhibitory activity(I 50) was measured as ability to enter the plate... | 1597856 |
| Calpain-1 catalytic subunit | IC50 | = | 6000.0 | nM | 5.22 | The ability of compound to inhibit calpain in a preparation of lysed platelets w... | 1597856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1597856 | 10.1021/jm00089a015 | Calpain-1 catalytic subunit | 3 |
Data from ChEMBL 36 via Core Engine